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  1. Third-Parties
  2. MatprojStructure
  3. mp-540724

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-540724
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Fe', 'Cu', 'S']
  • Chemical System: Cu-Fe-S
  • Density: 3.8486019861626333
  • Atomic Density: 0.05240642684595657
  • Unit Cell Volume: 496.12235683276765
  • Molar Volume: 11.491225642422593
  • Full Formula: Fe8 Cu4 S14
  • Reduced Formula: Fe4Cu2S7
  • Formula Anonymous: A2B4C7
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -154.62182155
  • Final energy per atom: -5.946993136538461
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.